SCHEMBL7742092

SCHEMBL7742092

Cc1c(NC2=NCCN2)ccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.67
ADRA2B P18089 11/20 0.67
ADRA2C P18825 11/20 0.67
ADRA1A P35348 10/20 0.67
ADRA1D P25100 10/20 0.67
ADRA1B P35368 9/20 0.67
HTR7 P34969 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NR1I2 O75469 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8690213 0.99 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL7028091 0.81 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D
Povafonidine SCHEMBL6581181 0.78 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6579433 0.78 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1AADRA1D
Povafonidine SCHEMBL8927783 0.77 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL7742097 0.77 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8117240 0.76 ADRA2C (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL1670230 0.76 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL8111465 0.75 ADRA2C (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL7202832 0.75 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
CN-1085945-C 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2002-06-05 CN disclosed
US-5916900-A TREATMENT OF NASAL CONGESTION, ASTHMA, COUGH, CARDIOVASCULAR DISORDERS, OCULAR DISORDERS, GASTROINTESTINAL DISORDERS, MIGRAINES, SUSBSTANCE ABUSE THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
CN-1137754-A 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 CN disclosed
US-5576437-A 7-(2-imidazolnylamino) quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-19 US disclosed
EP-0734261-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 WO disclosed